Geometry & MOs

Info

ID:	414495
PubChem CID:	135087454
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	322.144806
ΔH_f, kcal/mol:	-93.96
Dipole, Da:	3.2
IP(EA), eV:	-9.42(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C)CC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations